A Comprehensive Multiphysics Model for Organic Photovoltaics. A Comprehensive Multiphysics Model for Organic Photovoltaics
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1 A Comprehensive Multiphysics Model for Organic Photovoltaics Zi Shuai Wang, Wei E. I. Sha, and Wallace C. H. Choy Presenter: Wei E. I. Sha Website: Department of Electrical and Electronic Engineering The University of Hong Kong, Hong Kong Page 1
2 ADVANCES OF SOLAR CELL TECHNOLOGY Page 2
3 PROPERTIES OF ORGANIC SOLAR CELLS low-cost processing mechanically flexible large-area application environmentally friendly Х low exciton diffusion length Х low carrier mobility Page 3
4 DEVICE PHYSICS A Comprehensive Multiphysics Model for Organic Photovoltaics Generation ~10-13 s ~10-12 s Localized exciton state Initial delocalization state David Beljonne, Multiscale Modelling of Organic and Hybrid Photovoltaics, Springer. Page 4
5 DEVICE MODEL permittivity optical E-field Maxwell s equations Generation rate electron density ( ε ϕ) = - q( p- n) Poisson equation n 1 = ηdg + ( qμnnen + qdn n) + kdxl R( n, p) t q hole density p 1 = ηdg ( qμppep qdp p) + kdxl R( n, p) t q singlet Ex density electrostatic potential mobility diffusion coef. recombination Ex diffusion coef. Ex dissociation & decay Drift-diffusion equation & Current-continuity equation X t Page 5 = (1 η ) G+ ( D X ) k X k X + η R( n, p) d X l d l f l s Exciton diffusion-dissociation equation
6 SOLUTION: SOME REMARKS Unified finite-difference method with identical spatial grids is used. Debye length of organic materials is comparable to decay length of plasmonic waves. For Maxwell s equations, frequency-domain or explicit time-domain methods can be employed; For organic semiconductor equations, semi-implicit time-domain method (steady and transient solution) or Newton s method (steady solution) can be adopted. For stable multiphysics model, five international units should be redefined. Commercial software do not describe exciton behaviors properly. Page 6
7 SCL FOR PLANAR INVERTED OPVS Wei E.I. Sha, Xuanhua Li, and Wallace C.H. Choy, Scientific Reports, vol. 4, pp. 6236, Aug Light distribution mainly concentrates around cathode. Low-mobility holes travel a long distance. High-mobility electrons travel a short distance. Space charge limit (SCL) effect occurs. 9 8 / / / Page 7
8 SCL BREAKING FOR GRATING INVERTED OPVS Light distribution concentrates around anode. Low-mobility holes travel a short distance. high-mobility electrons travel a long distance. SCL effect is broken by the plasmonic-electrical effect! Page 8
9 THEORETICAL RESULTS exciton generation of grating over that of planar devices SEM of nanopattered organic thin-film current density voltage curves photocurrent light intensity curves Page 9
10 S-SHAPED J-V CHARACTERISTICS Di Zhang, Wallace C.H. Choy, Fengxian Xie, Wei E.I. Sha, Xinchen Li, Baofu Ding, Kai Zhang, Fei Huang, and Yong Cao, Wiley, Advanced Functional Materials, vol. 23, no. 34, pp , Sep Pristine TiO 2 buffer layer with many trap states induces effective extraction (reverse bias) and injection (forward bias) barriers and thus S-shaped current density-voltage (J-V) curve. On plasmonic resonance, plasmonically excited hot electrons are injected into TiO 2 layer. The injected electrons eliminate the S-shaped J-V curve by trap filling and improve charge collection. Page 10
11 THEORETICAL RESULTS S-shape eliminated S-shape Increasing injected hot electrons will eliminate S-shaped J-V curve and charge accumulation at the interface will be improved. Page 11
12 INFLUENCE OF EXCITON DELOCALIZATION Zi Shuai Wang, Wei E.I. Sha, and Wallace C.H. Choy, Exciton Delocalization Incorporated Drift-Diffusion Model for Bulk-Heterojunction Organic Solar Cells, Journal of Applied Physics, vol. 120, no. 21, pp , Dec Page 12 The saturation point of fill factor increases when the recombination rate decreases.
13 CONCLUSION A Comprehensive Multiphysics Model for Organic Photovoltaics 1. Device model is fundamentally important to high-performance organic photovoltaics. 2. Optical absorption is governed by Maxwell s equations. Carrier transport is governed by semiconductor equations. Exciton delocalization, diffusion, and dissociation are unique physical processes for organic semiconductor devices, which still need to be carefully studied. 3. Space charge limited current, S-shaped J-V characteristics, and exciton delocalization induced fill factor saturation in organic solar cells have been theoretically modeled. 4. More multi-physical effects (optical-electrical-thermal-quantum) in photon-carrier interaction will be explored in future works. Page 13
14 ACKNOWLEDGEMENT Any Questions and Discussions? Page 14
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